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Details

Stereochemistry ACHIRAL
Molecular Formula C28H33N7O3
Molecular Weight 515.6067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPENAMIDE, N-(2-((2-(DIMETHYLOXIDOAMINO)ETHYL)METHYLAMINO)-4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)PHENYL)-

SMILES

COC1=C(NC2=NC=CC(=N2)C3=CN(C)C4=CC=CC=C34)C=C(NC(=O)C=C)C(=C1)N(C)CC[N+](C)(C)[O-]

InChI

InChIKey=LOBAQJFXRBFPOQ-UHFFFAOYSA-N
InChI=1S/C28H33N7O3/c1-7-27(36)30-22-16-23(26(38-6)17-25(22)33(2)14-15-35(4,5)37)32-28-29-13-12-21(31-28)20-18-34(3)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)

HIDE SMILES / InChI

Molecular Formula C28H33N7O3
Molecular Weight 515.6067
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:12:20 UTC 2023
Edited
by admin
on Thu Jul 06 20:12:20 UTC 2023
Record UNII
9DD4NXS7RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPENAMIDE, N-(2-((2-(DIMETHYLOXIDOAMINO)ETHYL)METHYLAMINO)-4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)PHENYL)-
Systematic Name English
OSIMERTINIB METABOLITE M1
Common Name English
N-(2-((2-(DIMETHYLOXIDOAMINO)ETHYL)METHYLAMINO)-4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)PHENYL)-2-PROPENAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
132609257
Created by admin on Thu Jul 06 20:12:20 UTC 2023 , Edited by admin on Thu Jul 06 20:12:20 UTC 2023
PRIMARY
FDA UNII
9DD4NXS7RD
Created by admin on Thu Jul 06 20:12:20 UTC 2023 , Edited by admin on Thu Jul 06 20:12:20 UTC 2023
PRIMARY
CAS
1975982-94-5
Created by admin on Thu Jul 06 20:12:20 UTC 2023 , Edited by admin on Thu Jul 06 20:12:20 UTC 2023
PRIMARY
Related Record Type Details
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